REMARK  Name = BDB020555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.203   0.837   0.345  0.00  0.00    +0.080 A 
ATOM      2  N   LIG    1        4.393  -0.351  -0.279  0.00  0.00    -0.246 NA
ATOM      3  C   LIG    1        3.328  -1.057  -0.692  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.994  -0.630  -0.506  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.924  -1.453  -0.969  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.221  -2.664  -1.603  0.00  0.00    +0.133 A 
ATOM      7  C   LIG    1        2.532  -3.076  -1.783  0.00  0.00    +0.041 A 
ATOM      8  F   LIG    1        0.243  -3.466  -2.054  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        1.833   0.606   0.153  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.570  -2.267  -1.325  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        2.936   1.345   0.578  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -0.465  -1.055  -0.816  0.00  0.00    +0.097 A 
ATOM     13  C   LIG    1       -1.481  -1.799  -0.259  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -1.567  -3.144   0.339  0.00  0.00    +0.163 C 
ATOM     15  N   LIG    1       -2.575  -3.134   1.392  0.00  0.00    -0.297 N 
ATOM     16  C   LIG    1       -3.798  -2.497   1.203  0.00  0.00    +0.235 C 
ATOM     17  C   LIG    1       -3.893  -1.480   0.079  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -4.789  -2.738   1.895  0.00  0.00    -0.274 OA
ATOM     19  C   LIG    1       -2.494  -4.195   2.379  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -2.598  -1.009  -0.361  0.00  0.00    -0.320 N 
ATOM     21  C   LIG    1       -2.236   0.185  -0.936  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -0.944   0.168  -1.214  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.120   1.374  -1.201  0.00  0.00    +0.059 C 
ATOM     24  C   LIG    1       -3.503   2.111   0.083  0.00  0.00    +0.039 C 
ATOM     25  C   LIG    1       -4.319   3.363  -0.234  0.00  0.00    +0.160 C 
ATOM     26  O   LIG    1       -5.086   3.265  -1.434  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1       -5.530   1.944  -1.713  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1       -4.340   1.064  -2.078  0.00  0.00    +0.039 C 
ENDBRANCH  21  23
ENDBRANCH   5  12
BRANCH   1  32
ATOM     29  C   LIG    1        7.980   4.080   2.195  0.00  0.00    +0.073 C 
ATOM     30  C   LIG    1        7.210   2.967   1.575  0.00  0.00    +0.076 A 
ATOM     31  S   LIG    1        5.495   3.016   1.556  0.00  0.00    -0.071 S 
ATOM     32  C   LIG    1        5.450   1.503   0.738  0.00  0.00    +0.057 A 
ATOM     33  C   LIG    1        6.755   1.079   0.543  0.00  0.00    +0.128 A 
ATOM     34  N   LIG    1        7.753   1.908   1.019  0.00  0.00    -0.252 NA
ENDBRANCH   1  32
TORSDOF 3